(E)-but-2-enedioic acid; 1-(4-fluorophenyl)-2-phenoxy-4-piperidin-1-yl-butan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-fluorophenyl)-2-phenoxy-4-piperidin-1-yl-butan-1-one Openeye Name: 1-(4-fluorophenyl)-2-phenoxy-4-(1-piperidyl)butan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(4-fluorophenyl)-2-phenoxy-4-(1-piperidinyl)-1-butanone IUPAC Name: (E)-but-2-enedioic acid; 1-(4-fluorophenyl)-2-phenoxy-4-piperidin-1-ylbutan-1-one Traditional Name: 1-(4-fluorophenyl)-2-phenoxy-4-piperidino-butan-1-one; fumaric acid Formula: C25H28FNO6 MolecularWeight: 457.491323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(C(=O)C2=CC=C(C=C2)F)OC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCC(C(=O)C2=CC=C(C=C2)F)OC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H24FNO2.C4H4O4/c22-18-11-9-17(10-12-18)21(24)20(25-19-7-3-1-4-8-19)13-16-23-14-5-2-6-15-23;5-3(6)1-2-4(7)8/h1,3-4,7-12,20H,2,5-6,13-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+